Tools

Structure Generation Tools

molSimplify.Scripts.structgen

molSimplify.Scripts.generator

Geometry Manipulation Tools

molSimplify.Scripts.geometry

molSimplify.Scripts.distgeom

molSimplify.Scripts.rmsd

Cellbuilder Tools

molSimplify.Scripts.cellbuilder

molSimplify.Scripts.cellbuilder_tools

Input File Generation

molSimplify.Scripts.qcgen

molSimplify.Scripts.periodic_QE

molSimplify Argument Parser

molSimplify.Scripts.inparse